3KLC
Crystal structure of hyperthermophilic nitrilase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000257 | molecular_function | nitrilase activity |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016811 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides |
| B | 0000257 | molecular_function | nitrilase activity |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016811 | molecular_function | hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR A 263 |
| Chain | Residue |
| A | PHE107 |
| A | GLY109 |
| A | LYS110 |
| A | ARG132 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE BR A 264 |
| Chain | Residue |
| A | GLU15 |
| A | PRO16 |
| A | ASP17 |
| A | LYS18 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BR A 265 |
| Chain | Residue |
| A | ARG105 |
| A | GLY103 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BR A 266 |
| Chain | Residue |
| A | LYS3 |
| A | GLY34 |
| B | GLY34 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BR A 267 |
| Chain | Residue |
| A | ARG132 |
| A | VAL133 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BR A 268 |
| Chain | Residue |
| A | GLU153 |
| B | GLU153 |
| B | PHE261 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACY A 269 |
| Chain | Residue |
| A | CSX146 |
| A | TRP149 |
| A | LEU172 |
| A | VAL173 |
| A | MET174 |
| A | BR270 |
| A | HOH306 |
| A | HOH322 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE BR A 270 |
| Chain | Residue |
| A | TRP149 |
| A | LEU172 |
| A | ACY269 |
| A | HOH306 |
| A | HOH322 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BR B 263 |
| Chain | Residue |
| B | GLY103 |
| B | PRO104 |
| B | ARG105 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BR B 264 |
| Chain | Residue |
| B | LYS110 |
| B | ARG132 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BR B 265 |
| Chain | Residue |
| B | LYS22 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE BR B 266 |
| Chain | Residue |
| B | PRO175 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE BR B 267 |
| Chain | Residue |
| B | ALA233 |
| B | GLU234 |
| site_id | BC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACY B 268 |
| Chain | Residue |
| B | TRP149 |
| B | LEU172 |
| B | VAL173 |
| B | MET174 |
| B | BR269 |
| B | HOH307 |
| B | HOH341 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE BR B 269 |
| Chain | Residue |
| B | TRP149 |
| B | LEU172 |
| B | ACY268 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG B 270 |
| Chain | Residue |
| B | ARG255 |
| B | GLU257 |
| B | HOH286 |
| B | HOH296 |
| B | HOH340 |
| B | HOH359 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"21095228","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"21095228","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PROSITE-ProRule","id":"PRU00054","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"21095228","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
